[(1S)-1-[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]-3-methylsulfanyl-propyl]azanium

Systemtic Name: [(1S)-1-[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]-3-methylsulfanyl-propyl]azanium Openeye Name: [(1S)-1-[6-ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)-4-oxo-chromen-2-yl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(1S)-1-[6-ethyl-7-hydroxy-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-2-yl]-3-(methylthio)propyl]ammonium IUPAC Name: [(1S)-1-[6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-2-yl]-3-methylsulfanylpropyl]azanium Traditional Name: [(1S)-1-[6-ethyl-7-hydroxy-4-keto-3-(4-methylthiazol-2-yl)chromen-2-yl]-3-(methylthio)propyl]ammonium Formula: C19H23N2O3S2+ MolecularWeight: 391.52752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(CCSC)[NH3+])C3=NC(=CS3)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)[C@H](CCSC)[NH3+])C3=NC(=CS3)C)O

InChI

InChI=1S/C19H22N2O3S2/c1-4-11-7-12-15(8-14(11)22)24-18(13(20)5-6-25-3)16(17(12)23)19-21-10(2)9-26-19/h7-9,13,22H,4-6,20H2,1-3H3/p+1/t13-/m0/s1